N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(p-tolylmethyl)triazole-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methylbenzyl)triazole-4-carboxamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C20H18N4O4/c1-12-3-5-14(6-4-12)9-24-10-17(22-23-24)20(26)21-16-8-19-18(27-11-28-19)7-15(16)13(2)25/h3-8,10H,9,11H2,1-2H3,(H,21,26)